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

Systemtic Name: 4-[[(1S,2R)-2-(1-azanylethylideneamino)cyclohexyl]amino]-6-methyl-N-propan-2-yl-quinazoline-2-carboxamide Openeye Name: 4-[[(1S,2R)-2-(1-aminoethylideneamino)cyclohexyl]amino]-N-isopropyl-6-methyl-quinazoline-2-carboxamide CAS Name: 4-[[(1S,2R)-2-(1-aminoethylideneamino)cyclohexyl]amino]-6-methyl-N-propan-2-yl-2-quinazolinecarboxamide IUPAC Name: 4-[[(1S,2R)-2-(1-aminoethylideneamino)cyclohexyl]amino]-6-methyl-N-propan-2-ylquinazoline-2-carboxamide Traditional Name: 4-[[(1S,2R)-2-(1-aminoethylideneamino)cyclohexyl]amino]-N-isopropyl-6-methyl-quinazoline-2-carboxamide Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O/c1-12(2)23-21(28)20-25-16-10-9-13(3)11-15(16)19(27-20)26-18-8-6-5-7-17(18)24-14(4)22/h9-12,17-18H,5-8H2,1-4H3,(H2,22,24)(H,23,28)(H,25,26,27)/t17-,18+/m1/s1