3-[(1S)-1-cyclohexyl-4-[cyclohexyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]butyl]-6-phenoxy-4H-quinazolin-2-amine

Systemtic Name: 3-[(1S)-1-cyclohexyl-4-[cyclohexyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]butyl]-6-phenoxy-4H-quinazolin-2-amine Openeye Name: 3-[(1S)-1-cyclohexyl-4-[cyclohexyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]butyl]-6-phenoxy-4H-quinazolin-2-amine CAS Name: 3-[(1S)-1-cyclohexyl-4-[cyclohexyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]butyl]-6-phenoxy-4H-quinazolin-2-amine IUPAC Name: 3-[(1S)-1-cyclohexyl-4-[cyclohexyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]butyl]-6-phenoxy-4H-quinazolin-2-amine Traditional Name: [(4S)-4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-4-cyclohexyl-butyl]-cyclohexyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amine Formula: C35H48N6O MolecularWeight: 568.79522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)CN(CCCC(C2CCCCC2)N3CC4=C(C=CC(=C4)OC5=CC=CC=C5)N=C3N)C6CCCCC6

Isomeric SMILES

CC1=C(C=NN1)CN(CCC[C@@H](C2CCCCC2)N3CC4=C(C=CC(=C4)OC5=CC=CC=C5)N=C3N)C6CCCCC6

InChI

InChI=1S/C35H48N6O/c1-26-29(23-37-39-26)24-40(30-14-7-3-8-15-30)21-11-18-34(27-12-5-2-6-13-27)41-25-28-22-32(19-20-33(28)38-35(41)36)42-31-16-9-4-10-17-31/h4,9-10,16-17,19-20,22-23,27,30,34H,2-3,5-8,11-15,18,21,24-25H2,1H3,(H2,36,38)(H,37,39)/t34-/m0/s1