4-[[(1S,2R)-2-[(1-azanyl-3-oxidanyl-propylidene)amino]cyclohexyl]amino]-6-methyl-N-propan-2-yl-quinazoline-2-carboxamide

Systemtic Name: 4-[[(1S,2R)-2-[(1-azanyl-3-oxidanyl-propylidene)amino]cyclohexyl]amino]-6-methyl-N-propan-2-yl-quinazoline-2-carboxamide Openeye Name: 4-[[(1S,2R)-2-[(1-amino-3-hydroxy-propylidene)amino]cyclohexyl]amino]-N-isopropyl-6-methyl-quinazoline-2-carboxamide CAS Name: 4-[[(1S,2R)-2-[(1-amino-3-hydroxypropylidene)amino]cyclohexyl]amino]-6-methyl-N-propan-2-yl-2-quinazolinecarboxamide IUPAC Name: 4-[[(1S,2R)-2-[(1-amino-3-hydroxypropylidene)amino]cyclohexyl]amino]-6-methyl-N-propan-2-ylquinazoline-2-carboxamide Traditional Name: 4-[[(1S,2R)-2-[(1-amino-3-hydroxy-propylidene)amino]cyclohexyl]amino]-N-isopropyl-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(CCO)N)C(=O)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32N6O2/c1-13(2)24-22(30)21-26-16-9-8-14(3)12-15(16)20(28-21)27-18-7-5-4-6-17(18)25-19(23)10-11-29/h8-9,12-13,17-18,29H,4-7,10-11H2,1-3H3,(H2,23,25)(H,24,30)(H,26,27,28)/t17-,18+/m1/s1