Molecule ID: 44593871

IUPAC Name: 2-[4-[[4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-ylidene]amino]butyl]guanidine

Description: The molecule is cytidine in which the 2-keto group on the cytosine ring is substituted by the amino group of agmatine. It derives from an agmatine.

SMILES: N=C(N)NCCCCN=c1[nH]c(=N)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

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

InChI: InChI=1S/C14H25N7O4/c15-9-3-6-21(12-11(24)10(23)8(7-22)25-12)14(20-9)19-5-2-1-4-18-13(16)17/h3,6,8,10-12,22-24H,1-2,4-5,7H2,(H2,15,19,20)(H4,16,17,18)/t8-,10-,11-,12-/m1/s1

Molecular Properties:
- Polar Surface Area: 188.0 Ų
- LogP: -2.8