4-[[(1S,2R)-2-(1-azanylethylideneamino)cyclohexyl]amino]-N-(3-methoxypropyl)-6-methyl-quinazoline-2-carboxamide

Systemtic Name: 4-[[(1S,2R)-2-(1-azanylethylideneamino)cyclohexyl]amino]-N-(3-methoxypropyl)-6-methyl-quinazoline-2-carboxamide Openeye Name: 4-[[(1S,2R)-2-(1-aminoethylideneamino)cyclohexyl]amino]-N-(3-methoxypropyl)-6-methyl-quinazoline-2-carboxamide CAS Name: 4-[[(1S,2R)-2-(1-aminoethylideneamino)cyclohexyl]amino]-N-(3-methoxypropyl)-6-methyl-2-quinazolinecarboxamide IUPAC Name: 4-[[(1S,2R)-2-(1-aminoethylideneamino)cyclohexyl]amino]-N-(3-methoxypropyl)-6-methylquinazoline-2-carboxamide Traditional Name: 4-[[(1S,2R)-2-(1-aminoethylideneamino)cyclohexyl]amino]-N-(3-methoxypropyl)-6-methyl-quinazoline-2-carboxamide Formula: C22H32N6O2 MolecularWeight: 412.52848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N6O2/c1-14-9-10-17-16(13-14)20(27-19-8-5-4-7-18(19)25-15(2)23)28-21(26-17)22(29)24-11-6-12-30-3/h9-10,13,18-19H,4-8,11-12H2,1-3H3,(H2,23,25)(H,24,29)(H,26,27,28)/t18-,19+/m1/s1