4-[[(1S,2R)-2-(1-azanylethylideneamino)cyclohexyl]amino]-N-(2-methoxyethyl)-6-methyl-quinazoline-2-carboxamide

Systemtic Name: 4-[[(1S,2R)-2-(1-azanylethylideneamino)cyclohexyl]amino]-N-(2-methoxyethyl)-6-methyl-quinazoline-2-carboxamide Openeye Name: 4-[[(1S,2R)-2-(1-aminoethylideneamino)cyclohexyl]amino]-N-(2-methoxyethyl)-6-methyl-quinazoline-2-carboxamide CAS Name: 4-[[(1S,2R)-2-(1-aminoethylideneamino)cyclohexyl]amino]-N-(2-methoxyethyl)-6-methyl-2-quinazolinecarboxamide IUPAC Name: 4-[[(1S,2R)-2-(1-aminoethylideneamino)cyclohexyl]amino]-N-(2-methoxyethyl)-6-methylquinazoline-2-carboxamide Traditional Name: 4-[[(1S,2R)-2-(1-aminoethylideneamino)cyclohexyl]amino]-N-(2-methoxyethyl)-6-methyl-quinazoline-2-carboxamide Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2NC3CCCCC3N=C(C)N)C(=O)NCCOC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2N[C@H]3CCCC[C@H]3N=C(C)N)C(=O)NCCOC

InChI

InChI=1S/C21H30N6O2/c1-13-8-9-16-15(12-13)19(27-20(25-16)21(28)23-10-11-29-3)26-18-7-5-4-6-17(18)24-14(2)22/h8-9,12,17-18H,4-7,10-11H2,1-3H3,(H2,22,24)(H,23,28)(H,25,26,27)/t17-,18+/m1/s1