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

Systemtic Name: 4-[bis(azanyl)methylideneamino]butyl 2-azanyl-6-(3-oxidanylpropyl)-4-undecyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 4-guanidinobutyl 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 4-(diaminomethylideneamino)butyl ester IUPAC Name: 4-(diaminomethylideneamino)butyl 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 4-guanidinobutyl ester Formula: C24H46N6O3 MolecularWeight: 466.66044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H46N6O3/c1-2-3-4-5-6-7-8-9-10-14-19-21(20(15-13-17-31)30-24(27)29-19)22(32)33-18-12-11-16-28-23(25)26/h19,31H,2-18H2,1H3,(H4,25,26,28)(H3,27,29,30)