2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methyl]-1-(6-ethoxy-4-methyl-quinazolin-2-yl)guanidine

Systemtic Name: 2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methyl]-1-(6-ethoxy-4-methyl-quinazolin-2-yl)guanidine Openeye Name: 2-[(4,4-dimethyl-2,6-dioxo-cyclohexylidene)methyl]-1-(6-ethoxy-4-methyl-quinazolin-2-yl)guanidine CAS Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]-1-(6-ethoxy-4-methyl-2-quinazolinyl)guanidine IUPAC Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)guanidine Traditional Name: 2-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)methyl]-1-(6-ethoxy-4-methyl-quinazolin-2-yl)guanidine Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)NC(=NC=C3C(=O)CC(CC3=O)(C)C)N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)NC(=NC=C3C(=O)CC(CC3=O)(C)C)N

InChI

InChI=1S/C21H25N5O3/c1-5-29-13-6-7-16-14(8-13)12(2)24-20(25-16)26-19(22)23-11-15-17(27)9-21(3,4)10-18(15)28/h6-8,11H,5,9-10H2,1-4H3,(H3,22,23,24,25,26)