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

Systemtic Name: 7-[bis(azanyl)methylideneamino]heptyl 2-azanyl-6-(3-oxidanylpropyl)-4-undecyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 7-guanidinoheptyl 2-amino-6-(3-hydroxypropyl)-4-undecyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-amino-6-(3-hydroxypropyl)-4-undecyl-1,4-dihydropyrimidine-5-carboxylic acid 7-(diaminomethylideneamino)heptyl ester IUPAC Name: 7-(diaminomethylideneamino)heptyl 2-amino-6-(3-hydroxypropyl)-4-undecyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-amino-6-(3-hydroxypropyl)-4-undecyl-1,4-dihydropyrimidine-5-carboxylic acid 7-guanidinoheptyl ester Formula: C27H52N6O3 MolecularWeight: 508.74018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1C(=C(NC(=N1)N)CCCO)C(=O)OCCCCCCCN=C(N)N

Isomeric SMILES

CCCCCCCCCCCC1C(=C(NC(=N1)N)CCCO)C(=O)OCCCCCCCN=C(N)N

InChI

InChI=1S/C27H52N6O3/c1-2-3-4-5-6-7-8-10-13-17-22-24(23(18-16-20-34)33-27(30)32-22)25(35)36-21-15-12-9-11-14-19-31-26(28)29/h22,34H,2-21H2,1H3,(H4,28,29,31)(H3,30,32,33)