3-[(1S)-4-[cyclohexyl(methyl)amino]-1-(oxan-3-yl)butyl]-6-phenoxy-4H-quinazolin-2-amine

Systemtic Name: 3-[(1S)-4-[cyclohexyl(methyl)amino]-1-(oxan-3-yl)butyl]-6-phenoxy-4H-quinazolin-2-amine Openeye Name: 3-[(1S)-4-[cyclohexyl(methyl)amino]-1-tetrahydropyran-3-yl-butyl]-6-phenoxy-4H-quinazolin-2-amine CAS Name: 3-[(1S)-4-[cyclohexyl(methyl)amino]-1-(3-oxanyl)butyl]-6-phenoxy-4H-quinazolin-2-amine IUPAC Name: 3-[(1S)-4-[cyclohexyl(methyl)amino]-1-(oxan-3-yl)butyl]-6-phenoxy-4H-quinazolin-2-amine Traditional Name: [(4S)-4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-4-tetrahydropyran-3-yl-butyl]-cyclohexyl-methyl-amine Formula: C30H42N4O2 MolecularWeight: 490.68008

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(C1CCCOC1)N2CC3=C(C=CC(=C3)OC4=CC=CC=C4)N=C2N)C5CCCCC5

Isomeric SMILES

CN(CCC[C@@H](C1CCCOC1)N2CC3=C(C=CC(=C3)OC4=CC=CC=C4)N=C2N)C5CCCCC5

InChI

InChI=1S/C30H42N4O2/c1-33(25-11-4-2-5-12-25)18-8-15-29(23-10-9-19-35-22-23)34-21-24-20-27(16-17-28(24)32-30(34)31)36-26-13-6-3-7-14-26/h3,6-7,13-14,16-17,20,23,25,29H,2,4-5,8-12,15,18-19,21-22H2,1H3,(H2,31,32)/t23?,29-/m0/s1