7-[bis(azanyl)methylideneamino]heptyl (4S)-2-azanyl-4-nonyl-6-(3-oxidanylpropyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 7-[bis(azanyl)methylideneamino]heptyl (4S)-2-azanyl-4-nonyl-6-(3-oxidanylpropyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 7-guanidinoheptyl (4S)-2-amino-6-(3-hydroxypropyl)-4-nonyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: (4S)-2-amino-6-(3-hydroxypropyl)-4-nonyl-1,4-dihydropyrimidine-5-carboxylic acid 7-(diaminomethylideneamino)heptyl ester IUPAC Name: 7-(diaminomethylideneamino)heptyl (4S)-2-amino-6-(3-hydroxypropyl)-4-nonyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: (4S)-2-amino-6-(3-hydroxypropyl)-4-nonyl-1,4-dihydropyrimidine-5-carboxylic acid 7-guanidinoheptyl ester Formula: C25H48N6O3 MolecularWeight: 480.68702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1C(=C(NC(=N1)N)CCCO)C(=O)OCCCCCCCN=C(N)N

Isomeric SMILES

CCCCCCCCC[C@H]1C(=C(NC(=N1)N)CCCO)C(=O)OCCCCCCCN=C(N)N

InChI

InChI=1S/C25H48N6O3/c1-2-3-4-5-6-8-11-15-20-22(21(16-14-18-32)31-25(28)30-20)23(33)34-19-13-10-7-9-12-17-29-24(26)27/h20,32H,2-19H2,1H3,(H4,26,27,29)(H3,28,30,31)/t20-/m0/s1