2,6-bis(pyrrolidin-1-ylmethyl)-4-[(6,7,8-trimethoxyquinazolin-4-yl)amino]phenol

Systemtic Name: 2,6-bis(pyrrolidin-1-ylmethyl)-4-[(6,7,8-trimethoxyquinazolin-4-yl)amino]phenol Openeye Name: 2,6-bis(pyrrolidin-1-ylmethyl)-4-[(6,7,8-trimethoxyquinazolin-4-yl)amino]phenol CAS Name: 2,6-bis(1-pyrrolidinylmethyl)-4-[(6,7,8-trimethoxy-4-quinazolinyl)amino]phenol IUPAC Name: 2,6-bis(pyrrolidin-1-ylmethyl)-4-[(6,7,8-trimethoxyquinazolin-4-yl)amino]phenol Traditional Name: 2,6-bis(pyrrolidinomethyl)-4-[(6,7,8-trimethoxyquinazolin-4-yl)amino]phenol Formula: C27H35N5O4 MolecularWeight: 493.5979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=NC=N2)NC3=CC(=C(C(=C3)CN4CCCC4)O)CN5CCCC5)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=NC=N2)NC3=CC(=C(C(=C3)CN4CCCC4)O)CN5CCCC5)OC)OC

InChI

InChI=1S/C27H35N5O4/c1-34-22-14-21-23(26(36-3)25(22)35-2)28-17-29-27(21)30-20-12-18(15-31-8-4-5-9-31)24(33)19(13-20)16-32-10-6-7-11-32/h12-14,17,33H,4-11,15-16H2,1-3H3,(H,28,29,30)