Molecule ID: 135398684

IUPAC Name: 2-[3-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]propyl]guanidine

Description: The molecule is a member of indoles, a member of guanidines and an imidazopyrazine. It has a role as a luciferin. It is a conjugate base of a Cypridina luciferin(1+). It derives from a hydride of an imidazo[1,2-a]pyrazine.

SMILES: CC[C@H](C)c1nc2c(CCCNC(=N)N)nc(-c3c[nH]c4ccccc34)cn2c1O

SELFIES: [C][C][C@H1][Branch1][C][C][C][N][=C][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][=N][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][C][=Ring2][Ring1][=Branch2][O]

InChI: InChI=1S/C22H27N7O/c1-3-13(2)19-21(30)29-12-18(15-11-26-16-8-5-4-7-14(15)16)27-17(20(29)28-19)9-6-10-25-22(23)24/h4-5,7-8,11-13,26,30H,3,6,9-10H2,1-2H3,(H4,23,24,25)/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 131.0 Ų
- LogP: 3.1