4-[[azanyl(phenylmethoxycarbonylamino)methylidene]amino]butyl 2-azanyl-6-(3-oxidanylpropyl)-4-undecyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 4-[[azanyl(phenylmethoxycarbonylamino)methylidene]amino]butyl 2-azanyl-6-(3-oxidanylpropyl)-4-undecyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 4-[[amino(benzyloxycarbonylamino)methylene]amino]butyl 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-[[amino(phenylmethoxycarbonylamino)methylidene]amino]butyl ester IUPAC Name: 4-[[amino(phenylmethoxycarbonylamino)methylidene]amino]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-[[amino(benzyloxycarbonylamino)methylene]amino]butyl ester Formula: C32H52N6O5 MolecularWeight: 600.79248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1C(=C(NC(=N1)N)CCCO)C(=O)OCCCCN=C(N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC1C(=C(NC(=N1)N)CCCO)C(=O)OCCCCN=C(N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C32H52N6O5/c1-2-3-4-5-6-7-8-9-13-19-26-28(27(20-16-22-39)37-31(34)36-26)29(40)42-23-15-14-21-35-30(33)38-32(41)43-24-25-17-11-10-12-18-25/h10-12,17-18,26,39H,2-9,13-16,19-24H2,1H3,(H3,34,36,37)(H3,33,35,38,41)