(3Z,5Z,7Z)-azocine; 5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

Systemtic Name: (3Z,5Z,7Z)-azocine; 5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-allyl-5-(1-methylbutyl)hexahydropyrimidine-2,4,6-trione; (3Z,5Z,7Z)-azocine CAS Name: (3Z,5Z,7Z)-azocine; 5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: (3Z,5Z,7Z)-azocine; 5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-allyl-5-(1-methylbutyl)barbituric acid; (3Z,5Z,7Z)-azocine Formula: C47H53N7O3 MolecularWeight: 763.96882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C.C1=CC=CN=CC=C1.C1=CC=CN=CC=C1.C1=CC=CN=CC=C1.C1=CC=CN=CC=C1.C1=CC=CN=CC=C1

Isomeric SMILES

CCCC(C1(C(=O)NC(=O)NC1=O)CC=C)C.C\1=C\C=C/N=C\C=C1.C\1=C\C=C/N=C\C=C1.C\1=C\C=C/N=C\C=C1.C\1=C\C=C/N=C\C=C1.C\1=C\C=C/N=C\C=C1

InChI

InChI=1S/C12H18N2O3.5C7H7N/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;5*1-2-4-6-8-7-5-3-1/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);5*1-7H/b;5*2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7?