3-[[1-[3-azanyl-1-cyclopropyl-8-methoxy-2,4-bis(oxidanylidene)quinazolin-7-yl]pyrrolidin-3-yl]methyl-methyl-amino]propanenitrile

Systemtic Name: 3-[[1-[3-azanyl-1-cyclopropyl-8-methoxy-2,4-bis(oxidanylidene)quinazolin-7-yl]pyrrolidin-3-yl]methyl-methyl-amino]propanenitrile Openeye Name: 3-[[1-(3-amino-1-cyclopropyl-8-methoxy-2,4-dioxo-quinazolin-7-yl)pyrrolidin-3-yl]methyl-methyl-amino]propanenitrile CAS Name: 3-[[1-(3-amino-1-cyclopropyl-8-methoxy-2,4-dioxo-7-quinazolinyl)-3-pyrrolidinyl]methyl-methylamino]propanenitrile IUPAC Name: 3-[[1-(3-amino-1-cyclopropyl-8-methoxy-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]methyl-methylamino]propanenitrile Traditional Name: 3-[[1-(3-amino-1-cyclopropyl-2,4-diketo-8-methoxy-quinazolin-7-yl)pyrrolidin-3-yl]methyl-methyl-amino]propionitrile Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CC1CCN(C1)C2=C(C3=C(C=C2)C(=O)N(C(=O)N3C4CC4)N)OC

Isomeric SMILES

CN(CCC#N)CC1CCN(C1)C2=C(C3=C(C=C2)C(=O)N(C(=O)N3C4CC4)N)OC

InChI

InChI=1S/C21H28N6O3/c1-24(10-3-9-22)12-14-8-11-25(13-14)17-7-6-16-18(19(17)30-2)26(15-4-5-15)21(29)27(23)20(16)28/h6-7,14-15H,3-5,8,10-13,23H2,1-2H3